Molecular formula
C15H24O

SMILES
CC1=CCCC(C1C/C(=C(\C)/C=O)/C)(C)C

Fragrance
Woody	80.95%
Sweet	63.4%
Floral	59.34%
Violet	54.31%
Powdery	52.82%
Orris	48.91%
Dry	43.43%
Amber	40.14%
Tobacco	38.2%
Sandalwood	36.64%

 

Flavor
Woody	65.56%
Floral	46.02%
Sweet	42.89%
Herbal	41.7%
Citrus	35.19%
Spicy	34.74%
Wood	34.37%
Dry	30.93%
Fresh	30.77%
Orris	28.0%

 

Odor impact est.
Medium

XLogP3-AA
4.0

pKa est.
8.95 (weak base)

Molecular weight
220.35 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
290°C

Flash point

• 119.43 ˚C est.

• SCHEMBL2856747

(E)-2,3-dimethyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enal is used as an odorant and fragrance ingredient in perfumery, evaluated as an aroma component in flavor formulations, employed in cosmetics and personal care products as a fragrance ingredient, incorporated into household products such as air fresheners and cleaners as a fragrance additive, and may serve as an intermediate in the industrial manufacture of aroma chemicals.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	410.27
methanol	232.69
isopropanol	417.83
water	0.15
ethyl acetate	1193.91
n-propanol	522.28
acetone	788.99
n-butanol	514.1
acetonitrile	620.94
DMF	812.38
toluene	1193.92
isobutanol	375.38
1,4-dioxane	1460.97
methyl acetate	909.97
THF	1990.74
2-butanone	1247.24
n-pentanol	298.0
sec-butanol	499.91
n-hexane	118.79
ethylene glycol	27.59
NMP	624.68
cyclohexane	209.36
DMSO	371.89
n-butyl acetate	925.76
n-octanol	186.63
chloroform	2313.93
n-propyl acetate	626.98
acetic acid	192.37
dichloromethane	1747.73
cyclohexanone	1306.71
propylene glycol	90.39
isopropyl acetate	753.7
DMAc	714.46
2-ethoxyethanol	359.21
isopentanol	491.85
n-heptane	61.52
ethyl formate	431.23
1,2-dichloroethane	1159.39
n-hexanol	525.96
2-methoxyethanol	522.66
isobutyl acetate	424.55
tetrachloromethane	403.59
n-pentyl acetate	444.34
transcutol	1958.12
n-heptanol	236.46
ethylbenzene	538.34
MIBK	576.78
2-propoxyethanol	701.55
tert-butanol	590.78
MTBE	1021.83
2-butoxyethanol	403.58
propionic acid	299.07
o-xylene	578.09
formic acid	47.87
diethyl ether	1053.07
m-xylene	702.83
p-xylene	632.06
chlorobenzene	1002.13
dimethyl carbonate	263.08
n-octane	22.46
formamide	122.07
cyclopentanone	1291.89
2-pentanone	966.8
anisole	887.37
cyclopentyl methyl ether	973.35
gamma-butyrolactone	1076.05
1-methoxy-2-propanol	565.34
pyridine	1448.52
3-pentanone	782.81
furfural	933.05
n-dodecane	12.57
diethylene glycol	258.87
diisopropyl ether	347.48
tert-amyl alcohol	589.69
acetylacetone	767.2
n-hexadecane	16.07
acetophenone	654.92
methyl propionate	757.12
isopentyl acetate	846.37
trichloroethylene	2325.18
n-nonanol	175.92
cyclohexanol	523.81
benzyl alcohol	470.92
2-ethylhexanol	360.34
isooctanol	222.65
dipropyl ether	487.39
1,2-dichlorobenzene	818.6
ethyl lactate	222.18
propylene carbonate	662.22
n-methylformamide	356.15
2-pentanol	407.27
n-pentane	107.29
1-propoxy-2-propanol	644.63
1-methoxy-2-propyl acetate	885.72
2-(2-methoxypropoxy) propanol	440.17
mesitylene	415.25
ε-caprolactone	1096.65
p-cymene	272.97
epichlorohydrin	1557.05
1,1,1-trichloroethane	1490.56
2-aminoethanol	117.67
morpholine-4-carbaldehyde	873.65
sulfolane	783.92
2,2,4-trimethylpentane	61.18
2-methyltetrahydrofuran	1545.93
n-hexyl acetate	584.4
isooctane	60.4
2-(2-butoxyethoxy)ethanol	558.3
sec-butyl acetate	544.74
tert-butyl acetate	764.34
decalin	112.36
glycerin	96.75
diglyme	1093.57
acrylic acid	209.01
isopropyl myristate	218.61
n-butyric acid	576.47
acetyl acetate	492.78
di(2-ethylhexyl) phthalate	206.61
ethyl propionate	599.7
nitromethane	517.86
1,2-diethoxyethane	844.13
benzonitrile	711.94
trioctyl phosphate	132.48
1-bromopropane	869.24
gamma-valerolactone	1370.78
n-decanol	122.55
triethyl phosphate	230.25
4-methyl-2-pentanol	283.31
propionitrile	717.5
vinylene carbonate	586.05
1,1,2-trichlorotrifluoroethane	617.01
DMS	495.15
cumene	325.3
2-octanol	153.47
2-hexanone	621.02
octyl acetate	257.81
limonene	330.69
1,2-dimethoxyethane	844.72
ethyl orthosilicate	238.65
tributyl phosphate	171.83
diacetone alcohol	593.42
N,N-dimethylaniline	526.57
acrylonitrile	686.43
aniline	871.99
1,3-propanediol	215.53
bromobenzene	1148.99
dibromomethane	1261.79
1,1,2,2-tetrachloroethane	1725.71
2-methyl-cyclohexyl acetate	463.43
tetrabutyl urea	193.15
diisobutyl methanol	211.82
2-phenylethanol	592.08
styrene	633.37
dioctyl adipate	298.05
dimethyl sulfate	294.6
ethyl butyrate	597.43
methyl lactate	231.22
butyl lactate	315.6
diethyl carbonate	355.36
propanediol butyl ether	311.95
triethyl orthoformate	381.09
p-tert-butyltoluene	280.66
methyl 4-tert-butylbenzoate	482.19
morpholine	1685.63
tert-butylamine	469.58
n-dodecanol	85.34
dimethoxymethane	640.77
ethylene carbonate	502.49
cyrene	350.09
2-ethoxyethyl acetate	642.72
2-ethylhexyl acetate	665.94
1,2,4-trichlorobenzene	943.93
4-methylpyridine	1616.25
dibutyl ether	328.73
2,6-dimethyl-4-heptanol	211.82
DEF	843.54
dimethyl isosorbide	799.95
tetrachloroethylene	971.12
eugenol	419.48
triacetin	510.31
span 80	355.4
1,4-butanediol	79.5
1,1-dichloroethane	1416.49
2-methyl-1-pentanol	334.56
methyl formate	241.27
2-methyl-1-butanol	452.84
n-decane	27.69
butyronitrile	787.08
3,7-dimethyl-1-octanol	248.76
1-chlorooctane	169.91
1-chlorotetradecane	53.02
n-nonane	27.42
undecane	17.85
tert-butylcyclohexane	104.44
cyclooctane	76.05
cyclopentanol	429.64
tetrahydropyran	1796.31
tert-amyl methyl ether	639.75
2,5,8-trioxanonane	649.87
1-hexene	425.4
2-isopropoxyethanol	322.03
2,2,2-trifluoroethanol	81.25
methyl butyrate	704.41

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